SCHEMBL30224563

SCHEMBL30224563

CC1(C)OB([C@H]2C[C@@H]2c2cc(C(F)(F)F)c3ncccc3c2)OC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPM5 Q9NZQ8 1/20 0.39
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
PSMD14 O00487 1/20 0.31
COPS5 Q92905 1/20 0.31
SLC40A1 Q9NP59 1/20 0.31
EPHX2 P34913 1/20 0.30
AR P10275 1/20 0.30
PTPN6 P29350 1/20 0.30
PTPN11 Q06124 1/20 0.30
HSD11B1 P28845 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30224671 0.87 KDM4E (0.34) TRPM5
SCHEMBL30224922 0.83 AR (0.32) EPHX2AR
SCHEMBL25004335 0.75 TRPM5 (0.42) TRPM5PSMD14COPS5SLC40A1PTPN6
SCHEMBL30224750 0.75 ALDH1A1 (0.40)
SCHEMBL20392636 0.74 LPL (0.39) TRPM5PSMD14COPS5SLC40A1PTPN6
SCHEMBL30181836 0.74 CHRNB2 (0.44) AR
SCHEMBL30224864 0.74 CHRNB2 (0.44) AR
SCHEMBL30181642 0.72 KDM1A (0.54)
SCHEMBL30224533 0.71 SLC6A4 (0.50)
SCHEMBL30181776 0.70 HTR2C (0.50)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4143194-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2023-03-08 EP disclosed